SCHEMBL6589048

SCHEMBL6589048

COC(=O)[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.48
MMP9 P14780 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48
CA12 O43570 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
JMJD7 P0C870 1/20 0.47
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
ADAMTS4 O75173 1/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6769979 1.00 MMP13 (0.48) MMP13MMP9MMP1MMP2MMP3
SCHEMBL6774113 0.82 CA12 (0.51) MMP13MMP9MMP1MMP2MMP3
SCHEMBL6588744 0.82 CA12 (0.51) MMP13MMP9MMP1MMP2MMP3
SCHEMBL2995728 0.80 MAPT (0.48) MMP13MMP9MMP1MMP2MMP3
SCHEMBL3617858 0.79 MMP2 (0.77) MMP13MMP9MMP1MMP2MMP3
SCHEMBL3103313 0.79 MMP2 (0.77) MMP13MMP9MMP1MMP2MMP3
SCHEMBL11722467 0.76 GAA (0.54) CA12CA7CA9JMJD7GAA
SCHEMBL14551893 0.74 SSTR3 (0.50) CA12CA9GAAMAPTKMT2A
SCHEMBL6588625 0.74 ADAMTS4 (0.53) MMP13MMP9MMP1MMP2CA12
SCHEMBL9303069 0.73 POLB (0.48) GAAMAPTPOLBKMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169338-B1 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES ABBOTT GMBH & CO KG (DE) 2004-11-03 EP disclosed
US-6683055-B1 GUANIDINE OR AMIDINE TERMINED PEPTIDES BASF AKTIENGESELLSCHAFT (DE) 2004-01-27 US disclosed
EP-1169338-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
WO-2000061608-A2 LOW-MOLECULAR INHIBITORS OF COMPLEMENT PROTEASES BASF AKTIENGESELLSCHAFT (DE) 2000-10-19 WO disclosed